SCHEMBL4128977

SCHEMBL4128977

CCOC(=O)N1CCN(c2ccc(C(=O)N3c4ccccc4[C@H](N(C(C)=O)c4ccc(Cl)cc4)C[C@@H]3C)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.68
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4128974 1.00 PTGDR2 (0.68) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL13776662 0.92 PTGDR2 (0.59) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL13776270 0.92 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4128355 0.90 PTGDR2 (0.78) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4134015 0.90 PTGDR2 (0.75) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4129462 0.90 PTGDR2 (0.75) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4129460 0.90 PTGDR2 (0.75) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4128359 0.90 PTGDR2 (0.78) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4126526 0.90 PTGDR2 (0.65) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4126529 0.90 PTGDR2 (0.65) PTGDR2MEN1KMT2ALMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885MEN1 4611/4885KMT2A 4216/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885MEN1 4611/4885KMT2A 4216/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.